SCHEMBL1959384

SCHEMBL1959384

c1ccc(CCCCn2ccc3nc(-c4ccccc4)nc-3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HPGDS O60760 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCR3 P51677 1/20 0.38
LTA4H P09960 1/20 0.38
HSD11B1 P28845 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1958693 0.96 ADORA3 (0.42) ADORA3ADORA2AADORA1HPGDSSIGMAR1
SCHEMBL6432294 0.90 ADORA1 (0.47) ADORA3ADORA2AADORA1HPGDSLTA4H
SCHEMBL1411948 0.80 HPGDS (0.54) ADORA3ADORA2AADORA1HPGDSL3MBTL1
SCHEMBL1960975 0.75 L3MBTL1 (0.41) ADORA3ADORA2AADORA1HPGDSL3MBTL1
SCHEMBL1961068 0.75 CYP11B1 (0.50) ADORA3ADORA2AADORA1HPGDSFAAH
SCHEMBL1959738 0.74 LTA4H (0.55) LTA4HL3MBTL1TDP1NPC1RAB9A
SCHEMBL1959601 0.74 LTA4H (0.45) ADORA3ADORA2AADORA1MGLLGSK3A
SCHEMBL2348026 0.72 HPGDS (0.46) ADORA3ADORA2AADORA1HPGDSTDP1
SCHEMBL1958116 0.72 SMN1; SMN2 (0.50) HPGDSSIGMAR1L3MBTL1TDP1NPC1
SCHEMBL1960624 0.72 PDE10A (0.40) ADORA3ADORA1L3MBTL1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 ADORA3 1772/4885ADORA2A 2860/4885ADORA1 2136/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ADORA3 1491/4885ADORA2A 3029/4885ADORA1 1534/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.